| Abstract | Makrociklički spojevi i njihova svojstva jedno su od popularnijih tema kemijskih istraživanja današnjice. Zbog svoje jedinstvene strukture, koriste se za vezanje specifičnih molekula ili metala te kompleksiranje istih. Predmet ovog rada je rješavanje i utočnjavanje kristalnih struktura 6 \( N_{2}O_{2}\)–donornih makrocikličkih spojeva. Spojevi kojima je rješavana struktura su mD1 (1,5-diaza-2,4:7,8:16,17-tribenzo-9,15-dioksa-ciklooktadeka-1,5-dien), mD2 (1,5-diaza-2,4:7,8:15,16-tribenzo-9,14-dioksa-cikloheptadeka-1,5-dien), mD3 (1,5-diaza-2,4:7,8:17,18-tribenzo-9,16-dioksa-ciklononadeka-1,5-dien), mD4 (1,5-diaza-2,4:7,8:18,19-tribenzo-9,17-dioksa-cikloikosa-1,5-dien), mD1R (reducirana forma mD1 spoja) i mD4R (reducirana forma mD4 spoja). Za utočnjavanje i rješavanje kristalnih struktura korišteni su programi \( Olex^{2}\) i Mercury. Spojevima je određena struktura i kristalografski parametri. Sve dobivene strukture su tetradentatni makrociklički ligandi koji sadrže dva atoma kisika i dušika na donornim mjestima. Kako bi mogli razlikovati njihova svojstva, ispitani su strukturni parametri – duljine veza, torzijski kutovi, amplitude nabiranja i veličine šupljina središnjih prstenova. Na temelju ispitanih parametara određena su svojstva svakog spoja poput planarnosti, stabilnosti, jačini vezanja i kompleksiranja pojedinih vrsta. |
| Abstract (english) | Macrocyclic compounds and their properties are one of the more popular topics of chemical research of today. Due to their unique structure, they are used to bind and complex with specific molecules or metals. The subject of this thesis is the solution and refinement of crystal structures of six specific \( N_{2}O_{2}\) – donor macrocyclic compounds. The observed compounds are mD1 (1,5-diaza-2,4: 7,8: 16,17-tribenzo-9,15-dioxa-cyclooctadeca-1,5-diene), mD2 (1,5-diaza-2, 4: 7,8: 15,16-tribenzo-9,14-dioxa-cycloheptadeca-1,5-diene), mD3 (1,5-diaza-2,4: 7,8: 17,18-tribenzo-9) , 16-dioxa-cyclononadeca-1,5-diene), mD4 (1,5-diaza-2,4: 7,8: 18,19-tribenzo-9,17-dioxa-cycloeicosa-1,5-diene) , mD1R (reduced form of the mD1 compound) and mD4R (reduced form of the mD4 compound). For solving and refinement of crystal structures programs \( Olex^{2}\) and Mercury were used. The structure and crystallographic parameters of the compounds were determined. All achieved structures were tetradentate macrocyclic ligands containing two oxygen and nitrogen atoms at the donor sites. In order to be able to distinguish their properties, structural parameters were examined – bond lengths, torsion angles, puckering amplitudes and hole sizes of central rings. Based on examined parameters, the properties of each compound such as planarity, stability, bond strength and specific complexation ability were determined. |
